Role of SH groups and chemisorbed hydrogen in the formation of sulfur vacancies on an edge of a molybdenum disulfide crystallite Full article
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Kinetics and Catalysis
ISSN: 1608-3210 , E-ISSN: 0023-1584 |
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| Output data | Year: 2015, Volume: 56, Number: 2, Pages: 147-157 Pages count : 11 DOI: 10.1134/s0023158415020081 | ||
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Abstract:
The formation of sulfur vacancies on an edge of a molybdenum disulfide crystallite with the participation of SH groups has been considered using density functional theory with a plane-wave basis set and a PBE functional. The relative energy of a number of surface sulfur and hydrogen species has been determined. The profiles of the reactions of the SH group with molecular hydrogen have been investigated.
Cite:
Permyakov E.A.
, Solkan V.N.
, Kogan V.M.
Role of SH groups and chemisorbed hydrogen in the formation of sulfur vacancies on an edge of a molybdenum disulfide crystallite
Kinetics and Catalysis. 2015. V.56. N2. P.147-157. DOI: 10.1134/s0023158415020081 WOS Scopus OpenAlex
Role of SH groups and chemisorbed hydrogen in the formation of sulfur vacancies on an edge of a molybdenum disulfide crystallite
Kinetics and Catalysis. 2015. V.56. N2. P.147-157. DOI: 10.1134/s0023158415020081 WOS Scopus OpenAlex
Identifiers:
| Web of science: | WOS:000352901600004 |
| Scopus: | 2-s2.0-84928532789 |
| OpenAlex: | W2003723924 |